(1-methylpiperidin-4-yl) 2-(3-hydroxy-2-phenylphenyl)acetate

C20H23NO3 — CID 174486907

IUPAC(1-methylpiperidin-4-yl) 2-(3-hydroxy-2-phenylphenyl)acetate
SMILESCN1CCC(OC(=O)Cc2cccc(O)c2-c2ccccc2)CC1
InChIInChI=1S/C20H23NO3/c1-21-12-10-17(11-13-21)24-19(23)14-16-8-5-9-18(22)20(16)15-6-3-2-4-7-15/h2-9,17,22H,10-14H2,1H3
InChIKeyOSKMKZRFGRVONY-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.24
Rot. Bonds4

About (1-methylpiperidin-4-yl) 2-(3-hydroxy-2-phenylphenyl)acetate

(1-methylpiperidin-4-yl) 2-(3-hydroxy-2-phenylphenyl)acetate (PubChem CID 174486907) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is (1-methylpiperidin-4-yl) 2-(3-hydroxy-2-phenylphenyl)acetate.

Molecular Properties

Compound Name(1-methylpiperidin-4-yl) 2-(3-hydroxy-2-phenylphenyl)acetate
PubChem CID174486907
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name(1-methylpiperidin-4-yl) 2-(3-hydroxy-2-phenylphenyl)acetate
SMILESCN1CCC(OC(=O)Cc2cccc(O)c2-c2ccccc2)CC1
InChIInChI=1S/C20H23NO3/c1-21-12-10-17(11-13-21)24-19(23)14-16-8-5-9-18(22)20(16)15-6-3-2-4-7-15/h2-9,17,22H,10-14H2,1H3
InChIKeyOSKMKZRFGRVONY-UHFFFAOYSA-N
XLogP3.24
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[2-[benzyl(methyl)amino]ethyl]piperidin-4-yl] 2-(2-phenylphenyl)acetate
CID 58514272
(1-methylpyrrolidin-3-yl) 2-phenylacetate
CID 11127780
(1-butylpiperidin-4-yl) 2-(2-phenylphenyl)acetate
CID 59600654
methyl 2-[2-(1-methylpiperidin-4-yl)oxyphenyl]acetate
CID 117054228
ethane;[1-(4-oxopentyl)piperidin-4-yl] 2-(2-phenylphenyl)acetate
CID 160928471
benzyl (1-methylpiperidin-4-yl) carbonate
CID 58676243
3-[2-(1-methylpiperidin-4-yl)oxyphenyl]propanoic acid
CID 115005802
(1-methylpiperidin-4-yl) 2-(1,1-diphenylpropoxy)acetate;hydrochloride
CID 67409699
(1-methylpiperidin-4-yl) N-(2-phenylphenyl)carbamate
CID 53318454
cyclopropyl 2-phenylacetate
CID 135066962
(1-methylpiperidin-4-yl) (2R)-2-amino-2-phenylacetate
CID 61284960
(1-methylpiperidin-3-yl) 2-phenylacetate
CID 86143291

Frequently Asked Questions

What is the IUPAC name of (1-methylpiperidin-4-yl) 2-(3-hydroxy-2-phenylphenyl)acetate?
The IUPAC name of (1-methylpiperidin-4-yl) 2-(3-hydroxy-2-phenylphenyl)acetate (CID 174486907) is (1-methylpiperidin-4-yl) 2-(3-hydroxy-2-phenylphenyl)acetate.
What is the SMILES notation for (1-methylpiperidin-4-yl) 2-(3-hydroxy-2-phenylphenyl)acetate?
The canonical SMILES for (1-methylpiperidin-4-yl) 2-(3-hydroxy-2-phenylphenyl)acetate is CN1CCC(OC(=O)Cc2cccc(O)c2-c2ccccc2)CC1.
What is the InChIKey of (1-methylpiperidin-4-yl) 2-(3-hydroxy-2-phenylphenyl)acetate?
The InChIKey is OSKMKZRFGRVONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-21-12-10-17(11-13-21)24-19(23)14-16-8-5-9-18(22)20(16)15-6-3-2-4-7-15/h2-9,17,22H,10-14H2,1H3.
What are the key properties of (1-methylpiperidin-4-yl) 2-(3-hydroxy-2-phenylphenyl)acetate?
(1-methylpiperidin-4-yl) 2-(3-hydroxy-2-phenylphenyl)acetate has a molecular weight of 325.41 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpiperidin-4-yl) 2-(3-hydroxy-2-phenylphenyl)acetate is sourced from PubChem (CID 174486907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).